Detailed information for compound 142668

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.278 | Formula: C16H13NO6
  • H donors: 3 H acceptors: 4 LogP: 0.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)[nH]cc2C1=C(O)C(=CC(=O)C1=O)O
  • InChi: 1S/C16H13NO6/c1-22-12-3-7-8(6-17-9(7)4-13(12)23-2)14-15(20)10(18)5-11(19)16(14)21/h3-6,17-18,20H,1-2H3
  • InChiKey: UWYULHKRFBNKAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0621 0.1697 1
Loa Loa (eye worm) hypothetical protein 0.2394 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2394 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0621 0.1697 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1773 0.7094 0.7028
Plasmodium vivax prenyltransferase alpha subunit, putative 0.2394 1 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.2181 0.9004 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1332 0.5028 0.5
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0621 0.1697 0.1508
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.2181 0.9004 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.2394 1 1
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0849 0.2766 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0621 0.1697 0.1508
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0621 0.1697 0.1508
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1332 0.5028 0.3627
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0621 0.1697 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.2181 0.9004 1
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0849 0.2766 0.5
Toxoplasma gondii hypothetical protein 0.1773 0.7094 0.7386
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0621 0.1697 1
Trypanosoma cruzi hypothetical protein, conserved 0.0621 0.1697 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0621 0.1697 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0621 0.1697 0.1508
Giardia lamblia Rab geranylgeranyltransferase 0.2394 1 1
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1332 0.5028 0.3627
Trypanosoma cruzi hypothetical protein, conserved 0.0621 0.1697 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0621 0.1697 0.1508
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.2181 0.9004 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0621 0.1697 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.2394 1 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0621 0.1697 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.2394 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0621 0.1697 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.2394 1 1
Schistosoma mansoni 3-dehydroquinate synthase 0.0849 0.2766 0.2602
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.2394 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0621 0.1697 0.1508
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0621 0.1697 0.1508
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0621 0.1697 0.1508
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.2394 1 1
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0621 0.1697 0.1508
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2394 1 1
Onchocerca volvulus 0.0621 0.1697 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.2394 1 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1332 0.5028 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 19 % Percent inhibition of cell division cycle 25B at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 19 % Percent inhibition of cell division cycle 25B at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 20 % Percent inhibition of cell division cycle 25 degree C at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 20 % Percent inhibition of cell division cycle 25 degree C at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 54 % Percent inhibition of cell division cycle 25A at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 54 % Percent inhibition of cell division cycle 25A at 50 microM. ChEMBL. 12801222

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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